1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C19H24N2O2S — CID 67649784

IUPAC1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCCN1CCC(Cc2cccs2)(C(N)=O)CC1Oc1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-2-21-11-10-19(18(20)22,13-16-9-6-12-24-16)14-17(21)23-15-7-4-3-5-8-15/h3-9,12,17H,2,10-11,13-14H2,1H3,(H2,20,22)
InChIKeyNSJYWHQTMPUELS-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.28
Rot. Bonds6

About 1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide

1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 67649784) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID67649784
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCCN1CCC(Cc2cccs2)(C(N)=O)CC1Oc1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-2-21-11-10-19(18(20)22,13-16-9-6-12-24-16)14-17(21)23-15-7-4-3-5-8-15/h3-9,12,17H,2,10-11,13-14H2,1H3,(H2,20,22)
InChIKeyNSJYWHQTMPUELS-UHFFFAOYSA-N
XLogP3.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-methyl-4-(thiophen-2-ylmethyl)piperidine-4-carboxylate
CID 16639184
4-methyl-1-(thiophen-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 65394284
2-(thiophen-2-ylmethoxy)butanamide
CID 62898972
3-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63140808
1-(2-phenoxyacetyl)-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231275
2-phenoxy-1-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethanone
CID 42781009
ethyl 1-[2-(thiophen-2-ylmethyl)benzoyl]piperidine-4-carboxylate
CID 91950433
4-amino-4-(thiophen-2-ylmethyl)cyclohexan-1-ol
CID 130531663
3-ethoxy-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide
CID 106822477
thiophen-2-ylmethyl 1-(aminomethyl)cyclopropane-1-carboxylate
CID 115451050
1,1-dioxo-3-(thiophen-2-ylmethyl)thiolane-3-carboxylic acid
CID 78991895
4-ethyl-1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylic acid
CID 63124753

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 67649784) is 1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide is CCN1CCC(Cc2cccs2)(C(N)=O)CC1Oc1ccccc1.
What is the InChIKey of 1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is NSJYWHQTMPUELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-2-21-11-10-19(18(20)22,13-16-9-6-12-24-16)14-17(21)23-15-7-4-3-5-8-15/h3-9,12,17H,2,10-11,13-14H2,1H3,(H2,20,22).
What are the key properties of 1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 67649784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).